pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.28	IUPAC digitized pKa	1	0	Cn1cncc2ncc(=[NH2+])nc1-2,Cn1c[nH+]cc2ncc(=N)nc1-2,Cn1cncc2[nH+]cc(=N)nc1-2,Cn1cncc2ncc(=N)[nH+]c1-2	Cn1cncc2ncc(=N)nc1-2	mol8156	Cn1cncc2ncc(=N)nc1-2
8.33	AttenGpKa training set	1	0	Cn1cncc2ncc(=[NH2+])nc1-2,Cn1c[nH+]cc2ncc(=N)nc1-2,Cn1cncc2[nH+]cc(=N)nc1-2,Cn1cncc2ncc(=N)[nH+]c1-2	Cn1cncc2ncc(=N)nc1-2	mol8156	Cn1cncc2ncc(=N)nc1-2